MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
3	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
4	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,-1	2'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
U1	U	0.00000	0.00000	0.25000	2	m_x,m_y,0	0.16	0.0	0.16
U2	U	0.00000	0.00000	0.74880	2	m_x,m_y,0	0.16	0.0	0.16
U3_1	U	0.15930	0.34070	0.02250	4	m_x,m_y,m_z	1.03	0.78	1.29
U3_2	U	0.65930	0.15930	0.02250	4	m_x,m_y,m_z	0.96	-0.86	1.29

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Si1	Si	0.00000	0.00000	0.00000	2
Si2	Si	0.00000	0.00000	0.50000	2
Si3_1	Si	0.35360	0.14800	0.20890	4
Si3_2	Si	0.85200	0.35360	0.20890	4
Al2_1	Al	0.14100	0.36130	0.32950	4
Al2_2	Al	0.63870	0.14100	0.32950	4

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom U1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	m_x,m_y,0	0.16000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.75000	m_x,m_y,0	0.16000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom U2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.74880	m_x,m_y,0	0.16000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.24880	m_x,m_y,0	0.16000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom U3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.15930	0.34070	0.02250	m_x,m_y,m_z	1.03000	0.78000	0.00000
2	0.84070	0.65930	0.02250	m_x,m_y,-m_z	1.03000	0.78000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.65930	0.84070	0.52250	m_x,m_y,m_z	1.03000	0.78000	0.00000
4	0.34070	0.15930	0.52250	m_x,m_y,-m_z	1.03000	0.78000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom U3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.65930	0.15930	0.02250	m_x,m_y,m_z	0.96000	-0.86000	0.00000
2	0.34070	0.84070	0.02250	m_x,m_y,-m_z	0.96000	-0.86000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.15930	0.65930	0.52250	m_x,m_y,m_z	0.96000	-0.86000	0.00000
4	0.84070	0.34070	0.52250	m_x,m_y,-m_z	0.96000	-0.86000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si2:

Atom	x	y	z
1	0.00000	0.00000	0.50000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Si3_1:

Atom	x	y	z
1	0.35360	0.14800	0.20890
2	0.64640	0.85200	0.20890
(1/2,1/2,1/2) + set click here to show and hide
3	0.85360	0.64800	0.70890
4	0.14640	0.35200	0.70890

Set of atoms in the unit cell related by symmetry with the atom Si3_2:

Atom	x	y	z
1	0.85200	0.35360	0.20890
2	0.14800	0.64640	0.20890
(1/2,1/2,1/2) + set click here to show and hide
3	0.35200	0.85360	0.70890
4	0.64800	0.14640	0.70890

Set of atoms in the unit cell related by symmetry with the atom Al2_1:

Atom	x	y	z
1	0.14100	0.36130	0.32950
2	0.85900	0.63870	0.32950
(1/2,1/2,1/2) + set click here to show and hide
3	0.64100	0.86130	0.82950
4	0.35900	0.13870	0.82950

Set of atoms in the unit cell related by symmetry with the atom Al2_2:

Atom	x	y	z
1	0.63870	0.14100	0.32950
2	0.36130	0.85900	0.32950
(1/2,1/2,1/2) + set click here to show and hide
3	0.13870	0.64100	0.82950
4	0.86130	0.35900	0.82950

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
U1	U	0.00000	0.00000	0.25000	2	m_x,m_y,0	0.16	0.0	0.16
U2	U	0.00000	0.00000	0.74880	2	m_x,m_y,0	0.16	0.0	0.16
U3_1	U	0.15930	0.34070	0.02250	4	m_x,m_y,m_z	1.03	0.78	1.29
U3_2	U	0.65930	0.15930	0.02250	4	m_x,m_y,m_z	0.96	-0.86	1.29

label	dim. full irrep	dim. small irrep	direction	action
mGM3GM4	2	2	general	primary

MAGNDATA: A Collection of magnetic structures with portable cif-type files